#------------------------------------------------------------------------------
#$Date: 2015-07-13 22:13:20 +0300 (Mon, 13 Jul 2015) $
#$Revision: 150886 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/05/2310584.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310584
loop_
_publ_author_name
'Gattow, G.'
'Zemann, J.'
_publ_section_title
;
 Neubestimmung der Kristallstruktur von Azurit, Cu3 (O H)2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              866
_journal_page_last               872
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'C2 H2 Cu3 O8'
_chemical_name_systematic        'Cu3 (O H)2 (C O3)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.33
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5
_cell_length_b                   5.85
_cell_length_c                   10.35
_cell_volume                     302.487
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Gattow_ACCRA9_1958_278.cif
_cod_data_source_block           C2H2Cu3O8
_cod_original_cell_volume        302.4872
_cod_database_code               2310584
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O1 O-2 0.092 0.812 0.444 1 0.0
O3 O-2 0.447 0.224 0.421 1 0.0
O4 O-2 0.431 0.303 0.212 1 0.0
O2 O-2 0.098 0.39 0.338 1 0.0
C1 C+4 0.329 0.298 0.319 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
Cu2 Cu+2 0.252 0.495 0.085 1 0.0
